Molecular Orbital Theory in Organic Chemistry
03/30/2010
This year’s Advanced Organic Chemistry course introduces molecular orbital (MO) theory. MO theory is a description of molecular structure that arose out of the development of quantum mechanics in the early 20th century. By considering both particle and wave-like properties of matter, MO theory offers new insights into chemical behavior beyond those of simpler theories used in introductory chemistry classes.
The course explores the basic ideas of MO theory with an emphasis on concepts rather than extensive mathematics. Students learn to perform sophisticated quantum chemical calculations both by hand (in very simple cases), and using commercially available software. The results of these calculations are related back to student’s background knowledge from earlier courses, allowing them to appreciate the origins of some key chemical concepts. The course aims to provide students a more detailed view of molecular structure, and enables the study of modern topics in organic chemistry.
Chemistry majors Miles Marnell and Dave Atwood perform quantum chemical calculations.
A computed representation of the lowest unoccupied molecular orbital (LUMO) of the benzyl cation. In general, The LUMO describes reactivity toward an electron donor, and in this case simultaneously expresses all resonance structures of the benzyl cation.
